2-acetyloxyethyl-(cyclododecyloxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

Systemtic Name: 2-acetyloxyethyl-(cyclododecyloxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: 2-acetoxyethyl-(cyclododecoxymethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: 2-acetyloxyethyl-(cyclododecyloxymethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: 2-acetyloxyethyl-(cyclododecyloxymethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: 2-acetoxyethyl-(cyclododecoxymethyl)-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C23H42N2O7S MolecularWeight: 490.65378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NS(=O)(=O)O1)[O-].CC(=O)OCC[N+](C)(C)COC1CCCCCCCCCCC1

Isomeric SMILES

CC1=CC(=NS(=O)(=O)O1)[O-].CC(=O)OCC[N+](C)(C)COC1CCCCCCCCCCC1

InChI

InChI=1S/C19H38NO3.C4H5NO4S/c1-18(21)22-16-15-20(2,3)17-23-19-13-11-9-7-5-4-6-8-10-12-14-19;1-3-2-4(6)5-10(7,8)9-3/h19H,4-17H2,1-3H3;2H,1H3,(H,5,6)/q+1;/p-1